CID 175724097

C20H27KN3O4S — CID 175724097

IUPAC—
SMILESCC(=O)N1CCCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K]
InChIInChI=1S/C20H27N3O4S.K/c1-13(24)23-10-4-7-16(12-23)28(26,27)22-20(25)21-19-17-8-2-5-14(17)11-15-6-3-9-18(15)19;/h11,16H,2-10,12H2,1H3,(H2,21,22,25);
InChIKeyVOLNHQXYPPLKCT-UHFFFAOYSA-N
MW444.62 g/mol
LogP1.75
Rot. Bonds3

About CID 175724097

CID 175724097 (PubChem CID 175724097) has the molecular formula C20H27KN3O4S and a molecular weight of 444.62 g/mol.

Molecular Properties

Compound NameCID 175724097
PubChem CID175724097
Molecular FormulaC20H27KN3O4S
Molecular Weight444.62 g/mol
Exact Mass444.14
IUPAC Name—
SMILESCC(=O)N1CCCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K]
InChIInChI=1S/C20H27N3O4S.K/c1-13(24)23-10-4-7-16(12-23)28(26,27)22-20(25)21-19-17-8-2-5-14(17)11-15-6-3-9-18(15)19;/h11,16H,2-10,12H2,1H3,(H2,21,22,25);
InChIKeyVOLNHQXYPPLKCT-UHFFFAOYSA-N
XLogP1.75
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

potassium (1-acetylpiperidin-3-yl)sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
CID 155658593
CID 175724048
CID 175724048
1-[1-(2-fluoroethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137402505
1-(1-cyclopropylpyrrolidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;molecular hydrogen
CID 142513099
CID 175724131
CID 175724131
1-(1-cyclohexylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403138
CID 175724043
CID 175724043
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(5S)-8-(1-methylazetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]urea
CID 155120766
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxypropyl)azetidin-3-yl]sulfonylurea
CID 137403185
1-[1-(cyanomethyl)piperidin-4-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403219
CID 175947001
CID 175947001
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylurea
CID 130356337

Frequently Asked Questions

What is the IUPAC name of CID 175724097?
The IUPAC name of CID 175724097 (CID 175724097) is not available.
What is the SMILES notation for CID 175724097?
The canonical SMILES for CID 175724097 is CC(=O)N1CCCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K].
What is the InChIKey of CID 175724097?
The InChIKey is VOLNHQXYPPLKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S.K/c1-13(24)23-10-4-7-16(12-23)28(26,27)22-20(25)21-19-17-8-2-5-14(17)11-15-6-3-9-18(15)19;/h11,16H,2-10,12H2,1H3,(H2,21,22,25);.
What are the key properties of CID 175724097?
CID 175724097 has a molecular weight of 444.62 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175724097 is sourced from PubChem (CID 175724097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).